Coronopilin Details

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Physical and Chemical properties

PUBCHEM ID	257278
Molecular Weight (g/mol)	264.32
Molecular Formula	C15H20O4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
IUPAC Name	(3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
Canonical SMILES	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C
PUBCHEM IUPAC INCHIKEY	GEUJJEYGSRWXPC-JISBIHODSA-N
Solubility Level	3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA	1.3
CACTVS TPSA	63.6 Ų
BBB Level	3
Absorption Level	0
EXT PPB#Prediction	TRUE
AlogP98	1.68
EXT CYP2D6#Prediction	FALSE

Toxicological Information

Mouse Female FDA	Multi-Carcinogen
Mouse Male FDA	Multi-Carcinogen
Rat Female FDA	Single-Carcinogen
Rat Male FDA	Single-Carcinogen
Ames Prediction	Non-Mutagen
Developmental / Reproductive Toxicity	Toxic
Rat Oral LD50	0.954598 g/kg_body_weight
Ocular Irritancy	Mild
Hepatotoxic#Prediction	FALSE
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction

Degradable

Hazard(s) Identification

Physical hazards	not classified
Health hazards	Moderate
Environmental hazards	not classified

About Table Headings

Compound Biological Activity